Compound Detail
CHEMBL1172701
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O=C(Nc1n[nH]c2c1CN(C(=O)c1ccccn1)C2)c1cc2c(c(OCc3ccccc3)c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL1172701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMNBVRYTSVKPGM-UHFFFAOYSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
3.52
ALogP
7
HBA
2
HBD
118.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20621733 | 10.1016/j.bmcl.2010.04.083 | HCT-116 | 1 |
| 20621733 | 10.1016/j.bmcl.2010.04.083 | A549 | 1 |
| 20621733 | 10.1016/j.bmcl.2010.04.083 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine